methyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate

C12H11NO4 — CID 59398050

IUPACmethyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate
SMILESCOC(=O)c1cc(OC)cc2[nH]c(=O)ccc12
InChIInChI=1S/C12H11NO4/c1-16-7-5-9(12(15)17-2)8-3-4-11(14)13-10(8)6-7/h3-6H,1-2H3,(H,13,14)
InChIKeyOGARJZMKCKXWCK-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.32
Rot. Bonds2

About methyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate

methyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate (PubChem CID 59398050) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is methyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate
PubChem CID59398050
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Namemethyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate
SMILESCOC(=O)c1cc(OC)cc2[nH]c(=O)ccc12
InChIInChI=1S/C12H11NO4/c1-16-7-5-9(12(15)17-2)8-3-4-11(14)13-10(8)6-7/h3-6H,1-2H3,(H,13,14)
InChIKeyOGARJZMKCKXWCK-UHFFFAOYSA-N
XLogP1.32
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-oxo-1H-quinoline-5-carbaldehyde
CID 88867586
methyl 3-iodo-2,5-dimethoxybenzoate
CID 134648385
methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate
CID 125474812
dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
CID 91737513
methyl 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-2-oxo-1H-quinoline-4-carboxylate
CID 139920135
2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2431955
methyl 2-amino-5-methoxybenzoate
CID 13052275
2-acetyl-7-methoxy-1H-quinolin-4-one
CID 59108287
3-methoxy-5H-phenanthridin-6-one
CID 12706603
7-bromo-5-methoxy-1H-quinolin-2-one
CID 165134344
[2-(4-methoxyanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573596
ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate
CID 162422252

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate?
The IUPAC name of methyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate (CID 59398050) is methyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate.
What is the SMILES notation for methyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate?
The canonical SMILES for methyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate is COC(=O)c1cc(OC)cc2[nH]c(=O)ccc12.
What is the InChIKey of methyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate?
The InChIKey is OGARJZMKCKXWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-16-7-5-9(12(15)17-2)8-3-4-11(14)13-10(8)6-7/h3-6H,1-2H3,(H,13,14).
What are the key properties of methyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate?
methyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate has a molecular weight of 233.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-2-oxo-1H-quinoline-5-carboxylate is sourced from PubChem (CID 59398050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).